SCHEMBL9940010

SCHEMBL9940010

CN(C)CC1CCCN1c1cc(N)c([N+](C)=O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
OPRK1 P41145 1/20 0.36
NR1I2 O75469 2/20 0.34
SMARCA2 P51531 2/20 0.34
SMARCA4 P51532 2/20 0.34
PBRM1 Q86U86 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
CHEK1 O14757 1/20 0.31
PARP1 P09874 1/20 0.31
MAP2K1 Q02750 1/20 0.31
NPY5R Q15761 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9900059 0.91 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899616 0.86 OPRK1 (0.39) MAPTALDH1A1OPRK1NR1I2SMARCA2
SCHEMBL15033832 0.83 OPRK1 (0.37) ALDH1A1OPRK1NR1I2SMARCA2SMARCA4
SCHEMBL9939953 0.77 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899723 0.75 MAPT (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899670 0.75 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899672 0.75 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899970 0.70 MAPT (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899367 0.69 NR1I2 (0.38) NR1I2SMARCA2SMARCA4PBRM1NR1H2
SCHEMBL9899369 0.69 NR1I2 (0.38) NR1I2SMARCA2SMARCA4PBRM1NR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed